RefChem:1064399
(E)-but-2-enedioic acid;(Z)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-(6-(2-(dimethylamino)ethoxy)-4,7-dimethoxy-5-benzofuranyl)-3-(4-hydroxyphenyl)-, (Z)-2-butenedioate (1:1) (salt)|(E)-but-2-enedioic acid; (Z)-1-[6-(2-dimethylaminoethyloxy)-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
| Molecular Formula | C27H29NO10 |
|---|---|
| Molecular Weight | 527.17914 g/mol |
| LogP | 3.7039 |
| Topological Polar Surface Area | 155.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 527.17914 |
| Monoisotopic Mass | 527.17914 |
| Heavy Atoms | 38 |
| Complexity | 1303.872 |
Chemical Identifiers
| CAS Number | 41226-12-4 |
|---|---|
| SMILES | CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C\C3=CC=C(C=C3)O)OC)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1064399 (CAS 41226-12-4), with molecular formula C27H29NO10 and molecular weight 527.17914 g/mol. IUPAC: (E)-but-2-enedioic acid;(Z)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one.
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